3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole
TL;DR: 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole (CAS 663159-02-2) is a chemical compound with molecular formula C18H19N3S and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole
Also Known As: 3-benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole, AH-487/41734941, benzyl 4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C18H19N3S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.43042 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.12997 |
| Heavy Atoms | 22 |
| Complexity | 732.7836 |
Chemical Identifiers
| CAS Number | 663159-02-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C |
Product Overview
3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole (CAS 663159-02-2), with molecular formula C18H19N3S and molecular weight 309.13 g/mol. IUPAC: 3-benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole.
Chemical Property Profile of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole
Property Insights of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole
The XLogP value of 4.43042 indicates that 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole?
The CAS number of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole is 663159-02-2.
What is the molecular formula of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole?
The molecular formula of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole is C18H19N3S.
What is the molecular weight of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole?
The molecular weight of 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole is 309.13 g/mol.
Where can I buy 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole?
You can request a quote for 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.